#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011374.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2011374
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e382
_journal_page_last  e382
_publ_section_title
;
trans-Bis[ethane-1,2-dithiolato(2-)-S,S']bis(2-mercaptopyridine-S)tin(IV)
;
loop_
_publ_author_name
  'Wu, Li-ming'
  'Chen, Ling'
  'Dai, Jingcao'
  'Lin, Ping'
  'Du, Wen-xin'
  'Wu, Xin-tao'
_chemical_name_common  'trans-[Sn(IV)(C~2~H~4~S~2~)~2~(C~5~H~5~NS)~2~]'
_chemical_formula_sum  'C14 H18 N2 S6 Sn'
_chemical_formula_iupac  '[Sn (C5 H5 N S)2 C2 H4 S2)2]'
_chemical_formula_weight  525.35
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  7.162(2)
_cell_length_b  15.101(4)
_cell_length_c  9.035(4)
_cell_angle_alpha  90.00
_cell_angle_beta  96.89(2)
_cell_angle_gamma  90.00
_cell_volume  970.2(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.798
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Sn1  .0000  .0000  .0000  .02844(15) Uani d S 1 . . Sn
  S1  .05460(14)  -.04433(8)  .29328(11)  .0396(3) Uani d . 1 . . S
  S2  -.29029(14)  .07141(7)  .07464(11)  .0344(2) Uani d . 1 . . S
  S3  .17048(16)  .14089(7)  .05429(13)  .0435(3) Uani d . 1 . . S
  N1  .4099(5)  -.0956(2)  .2751(4)  .0356(8) Uani d . 1 . . N
  C1  .3263(6)  -.0908(3)  .5164(5)  .0368(9) Uani d . 1 . . C
  C2  .5031(6)  -.1196(3)  .5700(5)  .0416(10) Uani d . 1 . . C
  C3  .6344(7)  -.1369(3)  .4726(6)  .0467(11) Uani d . 1 . . C
  C4  .5850(6)  -.1241(3)  .3252(5)  .0434(10) Uani d . 1 . . C
  C5  .2760(5)  -.0783(2)  .3631(4)  .0293(8) Uani d . 1 . . C
  C21  .0011(12)  .1898(6)  .1683(10)  .055(2) Uiso d P  .60 . . C
  C31  -.1976(8)  .1822(3)  .1113(8)  .0697(17) Uani d . 1 . . C
  C211  -.0456(17)  .2103(8)  .0421(14)  .049(3) Uiso d P  .40 . . C
  H11  .238(7)  -.080(3)  .575(6)  .051(14) Uiso d . 1 . . H
  H21  .534(7)  -.128(3)  .666(6)  .049(14) Uiso d . 1 . . H
  H31  .760(9)  -.156(4)  .518(7)  .080(18) Uiso d . 1 . . H
  H41  .661(6)  -.126(3)  .252(5)  .033(11) Uiso d . 1 . . H
  H61  .391(6)  -.088(3)  .188(5)  .035(13) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Sn1  .0260(2)  .0274(2)  .0325(2)  .00144(14)  .00573(15)  -.00129(15)
  S1  .0281(5)  .0595(7)  .0319(5)  .0076(5)  .0060(4)  .0072(5)
  S2  .0305(5)  .0409(6)  .0329(5)  .0068(4)  .0085(4)  .0003(4)
  S3  .0427(6)  .0372(6)  .0513(7)  -.0099(5)  .0085(5)  -.0065(5)
  N1  .0317(18)  .047(2)  .0283(19)  .0030(15)  .0040(15)  .0009(16)
  C1  .038(2)  .041(2)  .032(2)  -.0006(19)  .0065(18)  .0025(18)
  C2  .045(3)  .046(3)  .031(2)  .003(2)  -.0050(19)  .0016(19)
  C3  .033(2)  .052(3)  .053(3)  .008(2)  -.004(2)  .001(2)
  C4  .031(2)  .055(3)  .046(3)  .005(2)  .008(2)  .001(2)
  C5  .0281(19)  .0275(19)  .033(2)  -.0023(15)  .0050(16)  .0007(15)
  C31  .063(3)  .037(3)  .113(5)  .002(2)  .028(3)  -.021(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sn1 S3 3 2.4728(12) ?
  Sn1 S3 . 2.4728(12) ?
  Sn1 S2 . 2.5054(11) ?
  Sn1 S2 3 2.5054(11) ?
  Sn1 S1 3 2.7156(15) ?
  Sn1 S1 . 2.7156(15) ?
  S1 C5 . 1.714(4) ?
  S2 C31 . 1.815(5) ?
  S3 C21 . 1.838(9) ?
  S3 C211 . 1.861(13) ?
  N1 C5 . 1.343(5) ?
  N1 C4 . 1.351(6) ?
  C1 C2 . 1.371(6) ?
  C1 C5 . 1.402(6) ?
  C2 C3 . 1.388(7) ?
  C3 C4 . 1.350(7) ?
  C21 C211 . 1.191(14) ?
  C21 C31 . 1.459(10) ?
  C31 C211 . 1.386(14) ?